(5R,6R)-6-[(1R)-1-Hydroxyethyl]-7-Oxo-3-Phenyl-4-Oxa-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H13NO5
IUPAC Name (5r,6r)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 275.257 g·mol−1
Heat of Formation -577.4 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 306.88 Å 3
Surface Area 280.88 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-6-(1-hydroxyethyl)-7-keto-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-6-(1-hydroxyethyl)-7-oxo-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • 4-oxa-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-phenyl-, (5r-(5alpha,6alpha(r*)))-
  • 6-(1-hydroxyethyl)-2-phenyl-1-oxa-2-penem-3-carboxylic acid
  • hp-1-oxapenem
CAS Number(s)
  • 132015-04-4
InChIKey OZESXJHIHPRAKY-BZTNIEFMSA-N
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